BIT2V3 -OEChem-04042106353D 37 40 0 0 0 0 0 0 0999 V2000 -4.1588 2.0923 0.1500 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.9264 2.6326 1.4714 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9090 2.8246 -1.0722 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6183 -0.8394 -0.0963 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2062 1.0137 0.1625 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6903 1.3275 0.0815 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1380 -1.1654 -0.0658 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3567 -2.4109 -0.1520 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6814 -2.3113 -0.1320 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3427 0.5558 0.0387 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2406 -0.5087 -0.0478 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9746 0.3805 0.0357 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5013 -0.9291 -0.0592 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6572 -0.0964 -0.0284 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7777 -1.8092 -0.1425 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3939 -2.0139 -0.1474 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8531 -0.2360 0.0117 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0016 -0.9859 -0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3332 -0.4727 0.0186 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6127 0.7953 -0.4912 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3551 -1.2409 0.5764 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9142 1.2950 -0.4432 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6566 -0.7413 0.6244 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9360 0.5265 0.1146 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4220 2.3174 -0.3757 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3380 1.2532 0.1063 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5671 1.8595 0.1042 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4572 -2.6518 -0.2112 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0432 -3.0408 -0.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6982 0.8303 0.0958 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8416 1.4142 -0.9433 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1599 -2.2305 0.9828 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0623 2.2857 -0.8592 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4484 -1.3440 1.0608 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2089 2.3497 -1.4496 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8662 3.0796 0.1809 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4860 2.5452 -0.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 6 1 0 0 0 0 1 10 1 0 0 0 0 4 14 2 0 0 0 0 5 24 1 0 0 0 0 5 25 1 0 0 0 0 6 14 1 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 13 1 0 0 0 0 7 17 1 0 0 0 0 8 9 2 0 0 0 0 9 18 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 11 14 1 0 0 0 0 11 15 1 0 0 0 0 12 13 2 0 0 0 0 12 26 1 0 0 0 0 13 16 1 0 0 0 0 15 16 2 0 0 0 0 15 28 1 0 0 0 0 16 29 1 0 0 0 0 17 18 2 0 0 0 0 17 30 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 20 31 1 0 0 0 0 21 23 2 0 0 0 0 21 32 1 0 0 0 0 22 24 2 0 0 0 0 22 33 1 0 0 0 0 23 24 1 0 0 0 0 23 34 1 0 0 0 0 25 35 1 0 0 0 0 25 36 1 0 0 0 0 25 37 1 0 0 0 0 M END $$$$